UCSF

ZINC22995854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 13 Yes

Popular Name: 5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine 5-Trifluoromethyl-1H-pyrrolo[2,3…

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CAS Numbers: 1036027-54-9 , [1036027-54-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 4.76 -6.23 1 2 0 29 186.136 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.